tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate

C17H24N2O3 — CID 53495692

IUPACtert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=N/c2ccccc2)COC1(C)C
InChIInChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-14(12-21-17(19,4)5)11-18-13-9-7-6-8-10-13/h6-11,14H,12H2,1-5H3/b18-11+/t14-/m1/s1
InChIKeyBAJBPRCWWGJAMR-XWAFYUISSA-N
MW304.39 g/mol
LogP3.76
Rot. Bonds2

About tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 53495692) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID53495692
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=N/c2ccccc2)COC1(C)C
InChIInChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-14(12-21-17(19,4)5)11-18-13-9-7-6-8-10-13/h6-11,14H,12H2,1-5H3/b18-11+/t14-/m1/s1
InChIKeyBAJBPRCWWGJAMR-XWAFYUISSA-N
XLogP3.76
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11347712
1-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-N-phenylmethanimine oxide
CID 44247859
tert-butyl (4S,5S)-4-(benzyliminomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 134874320
1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-N-phenylmethanimine oxide
CID 134942399
(S)-4-[(ethyl-phenyl-amino)-methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 57667060
(R)-4-[(ethyl-phenyl-amino)-methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 57667084
(S)-4-[(isopropyl-phenyl-amino)-methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 57667096
(S)-2,2-dimethyl-4-[(methyl-phenyl-amino)-methyl]-oxazolidine-3-carboxylic acid tert-butyl ester
CID 57667117
tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66705829
tert-butyl 2,2-dimethyl-4-[(N-methylanilino)methyl]-1,3-oxazolidine-3-carboxylate
CID 67271529
tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate
CID 67271784
3-Phenyl-4-(2,3,4,5-tetrahydropyridin-4-yl)-1,3-oxazolidin-2-one
CID 70207257

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate (CID 53495692) is tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](/C=N/c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is BAJBPRCWWGJAMR-XWAFYUISSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-14(12-21-17(19,4)5)11-18-13-9-7-6-8-10-13/h6-11,14H,12H2,1-5H3/b18-11+/t14-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-(phenyliminomethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 53495692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).